4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=122.39042937213986 stress="-15.668964918547841 3.0919314675285805 -2.8986250502067286 3.0919314675285805 -11.510239528134342 2.7268456684772517 -2.8986250502067286 2.7268456684772517 -16.882685699824506" free_energy=122.39042937213986 pbc="F T T" Ta 0.28095696 2.82464588 0.26008946 -228.81741838 68.88304071 -285.24656222 Ta 1.37675974 1.32230465 0.28460712 175.69616623 6.46447066 -148.31936160 Ta 1.25346517 2.76772449 1.27715687 210.78438420 -90.58724245 274.15590639 Ta 0.11893942 1.22956938 1.13187344 -157.66313205 15.23973108 159.41001743